4BZ8
Crystal structure of Schistosoma mansoni HDAC8 complexed with J1038
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-23 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 |
| Unit cell lengths | 70.655, 70.721, 98.391 |
| Unit cell angles | 77.98, 75.51, 85.80 |
Refinement procedure
| Resolution | 32.360 - 2.210 |
| R-factor | 0.18 |
| Rwork | 0.178 |
| R-free | 0.22210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t67 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.070 | 0.250 |
| Number of reflections | 84242 | |
| <I/σ(I)> | 15.7 | 3.9 |
| Completeness [%] | 93.3 | 93.1 |
| Redundancy | 1.9 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2 M NA,K L-TARTRATE, 21% (W/V) PEG3350 |
